Geometry & MOs

Info

ID:	228500
PubChem CID:	87564982
Reduced:	FeINOC12H14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	440.258754
ΔH_f, kcal/mol:	172.62
Dipole, Da:	4.82
IP(EA), eV:	-7.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methoxy-1-methylurea

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.C(C(=O)N)I.[Fe]

DOS

IR

Vibrations